SCHEMBL4789012

SCHEMBL4789012

NC1(O)CCCC1CCO

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 3/20 0.34
ARG2 P78540 2/20 0.34
MAPT P10636 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11457409 0.83 ARG1 (0.34) ARG1ARG2
SCHEMBL28122816 0.82
SCHEMBL9801094 0.81 CA1 (0.38) ARG1ARG2
SCHEMBL9801522 0.78 TDP1 (0.44) ARG1ARG2
SCHEMBL11453063 0.77 TRPA1 (0.35) ARG1ARG2
SCHEMBL9801020 0.76
SCHEMBL9801310 0.75 CA1 (0.41)
SCHEMBL11461027 0.75 SIGMAR1 (0.36) ARG1ARG2
SCHEMBL9801355 0.74 CA1 (0.39)
SCHEMBL9801609 0.72 CYP1A2 (0.41) ARG1ARG2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008124582-A1 RENIN INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-10-16 WO disclosed